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Cannot generate structures with more than 10 types. #94

@afonari

Description

@afonari

Input is:

periodic_P_1
bulk
4.47101 0.00000 0.00000
-0.00306 5.36844 0.00000
-2.22995 -2.45643 9.01640
12
13
2.237953 -0.467299 4.816915 2/3
2.236134 1.886155 3.463610 4/5
0.001861 1.025849 5.552795 2/3
0.002989 1.376544 8.231284 6/7
0.000042 3.379303 4.199490 4/5
2.235006 1.535460 0.785120 8/9
0.000000 0.000000 0.000000 0
-0.001181 3.017209 1.549311 8/9
2.239176 -0.105205 7.467093 6/7
0.004020 -1.540983 6.955608 10/11
2.233975 4.452986 2.060797 1
2.236890 2.489635 6.296957 10/11
0.001105 0.422369 2.719448 1
1 1
0.0010
partial
1 1 13
2 2 13
1 1 13
1 1 13
1 1 13
1 1 13
1 1 13
1 1 13
1 1 13
1 1 13
1 1 13
1 1 13

enum.x works. Partial struct_enum.out:

partial list of labelings (complete labelings only) is used
(Non)Equivalency list: 1  2  3  4  5  6  7  8  9 10 11 12 13
start   #tot      HNF     Hdegn   labdegn   Totdegn   #size idx    pg    SNF             HNF                 Left transform                          labeling
          1         1       1        1        1           1   1     1   1  1  1    1  0  1  0  0  1      1    0    0    0    1    0    0    0    1   352748096*1*1
          2         1       1        1        1           2   1     1   1  1  1    1  0  1  0  0  1      1    0    0    0    1    0    0    0    1   253748096*1*1
          3         1       1        1        1           3   1     1   1  1  1    1  0  1  0  0  1      1    0    0    0    1    0    0    0    1   342758096*1*1

Note the stars in the labeling. This is because the format is %1f. Thus making makestr.x impossible to parse it.

I think a possible solution would be to check if label is >= 10 and in this case wrap the label with underscores, eg: 89_10_78.

This will also require to change how makestr parses the code.

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